기본 정보
- CAS
2064175-41-1- 표준 SMILES
CC[C@H](C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1ccccc1OCC(=O)NCCCCCCOc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)c1cc(OC)c(OC)c(OC)c1- InChIKey
BJFBRLAWLPZOMJ-QHVFGHLPSA-N- 분자식
- C57H68N4O15
- 평균 분자량
- 1,049.2 g/mol
개요
DTAG-13 is fKBP12 PROTAC dTAG-13 (dTAG-13), a PROTAC-based heterobifunctional degrader, is a selective degrader of FKBP12F36V with expression of FKBP12F36V in-frame with a protein of interest. FKBP12 PROTAC dTAG-13 effectively engages FKBP12F36V and CRBN, thereby selectively degrading FKBP12F36V.
이름 및 식별자
- 우선 이름
- FKBP12 PROTAC dTAG-13
- IUPAC
- [(1R)-3-(3,4-dimethoxyphenyl)-1-[2-[2-[6-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyhexylamino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4,5-trimethoxyphenyl)butanoyl]piperidine-2-carboxylate
- 영어명
- dTAG-13
- 분자식
- C57H68N4O15
- 분자량
- 1049.17
이름 및 동의어
FKBP12 PROTAC dTAG-132064175-41-1dTAG-13[(1R)-3-(3,4-dimethoxyphenyl)-1-[2-[2-[6-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyhexylamino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4,5-trimethoxyphenyl)butanoyl]piperidine-2-carboxylate(1R)-3-(3,4-dimethoxyphenyl)-1-(2-(2-((6-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)oxy)hexyl)amino)-2-oxoethoxy)phenyl)propyl (2S)-1-((S)-2-(3,4,5-trimethoxyphenyl)butanoyl)piperidine-2-carboxylate(2S)-(1R)-3-(3,4-dimethoxyphenyl)-1-(2-(2-((6-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)oxy)hexyl)amino)-2-oxoethoxy)phenyl)propyl 1-((S)-2-(3,4,5-trimethoxyphenyl)butanoyl)piperidine-2-carboxylate(1R)-3-(3,4-dimethoxyphenyl)-1-(2-{[(6-{[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl]oxy}hexyl)carbamoyl]methoxy}phenyl)propyl (2S)-1-[(2S)-2-(3,4,5-trimethoxyphenyl)butanoyl]piperidine-2-carboxylateorb1709694CHEMBL4586585SCHEMBL18376186SCHEMBL29510445GTPL10533
이름 더 보기
(2S)-(1R)-3-(3,4-Dimethoxyphenyl)-1-(2-(2-((6-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)oxy)hexyl)amino)-2-oxoethoxy)phenyl)propyl 1-((S)-2-(3,4,5-trimethoxyphenyl)butanoyl)piperidine-2-carboxylate, d-TAG-13
물성
구조 계산 물성
- XLogP
- 7.4
- 극성 표면적
- 224 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 15
- 회전 가능 결합 수
- 27
- 무거운 원자 수
- 76
- 형식 전하
- 0
- 복잡도
- 1,930
물리화학적 성질
- 녹는점
- 106 · 106-111°C
- 끓는 점
- 1134 · 1134.0±65.0 °C(Predicted)
- 밀도
- 1.26 · 1.260±0.06 g/cm3(Predicted)
- 저장 조건
- -20 °C · -20°C Freezer
- 용해도
- DMF(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 10.7 · 10.70±0.40(Predicted)
- 색상
- 흰색에서 황백색까지
- InChIKey
- BJFBRLAWLPZOMJ-QHVFGHLPSA-N
- SMILES
- O=C(O[C@@H](C1=C(C=CC=C1)OCC(NCCCCCCOC2=C(C3=CC=C2)C(N(C3=O)C4CCC(NC4=O)=O)=O)=O)CCC5=CC=C(C(OC)=C5)OC)[C@@H]6CCCCN6C([C@H](C7=CC(OC)=C(C(OC)=C7)OC)CC)=O
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- WGK 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도dTAG-13 is a degradation tag which was tested for its efficiency at depleting FKBP12F36V -MELK(sg3R) and was found to have significantly degraded FKBP12F36V -MELK(sg3R) within 4 hours.Used in the study of cancer research.
공급사28 곳
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
沈阳中申泽康生物医学技术研究有限公司024-88590548 18698872706 · [email protected]
上海优宁维生物科技股份有限公司15921930842 15921930842 · [email protected]
Aladdin Scientific[email protected]
山东大有药物研发有限公司[email protected] 15165037910 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
United Life Science020-82099279 18988968278 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
NANJING YINGWEN BIOTECHNOLOGY CO LTD+8613382787392 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
上海喀露蓝科技有限公司18149758185 18149758185 · [email protected]
四川省维克奇生物科技有限公司028-81700200 18116577057 · [email protected]
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